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N-Benzyl-6-aza-5-.xi.cholestane
SpectraBase Compound ID I157kq3LD1D
InChI InChI=1S/C33H53N/c1-24(2)12-11-13-25(3)28-17-18-29-27-23-34(22-26-14-7-6-8-15-26)31-16-9-10-20-33(31,5)30(27)19-21-32(28,29)4/h6-8,14-15,24-25,27-31H,9-13,16-23H2,1-5H3
InChIKey GMXHPJQSFIOLLH-UHFFFAOYSA-N
Mol Weight 463.8 g/mol
Molecular Formula C33H53N
Exact Mass 463.417801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqX5ktUwpBQ
Name N-Benzyl-6-aza-5-.xi.cholestane
CAS Registry Number 16373-52-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H53N
InChI InChI=1S/C33H53N/c1-24(2)12-11-13-25(3)28-17-18-29-27-23-34(22-26-14-7-6-8-15-26)31-16-9-10-20-33(31,5)30(27)19-21-32(28,29)4/h6-8,14-15,24-25,27-31H,9-13,16-23H2,1-5H3
InChIKey GMXHPJQSFIOLLH-UHFFFAOYSA-N
Molecular Weight 463.794 g/mol
SMILES CC(C)CCCC(C)C1CCC2C3CN(Cc4ccccc4)C4CCCCC4(C)C3CCC12C
SPLASH splash10-03di-1203900000-246cf0f4ae304faedbc5
Source of Spectrum T-67-5096-0
Synonyms 6-Azacholestane, 6-benzyl- 5-Benzyl-1-(1,5-dimethylhexyl)-9a,11a-dimethylhexadecahydro-1H-cyclopenta[i]phenanthridine 5-Benzyl-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydrocyclopenta[i]phenanthridine 5-Benzyl-1-(1,5-dimethylhexyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydrocyclopenta[i]phenanthridine 9a,11a-dimethyl-1-(6-methylheptan-2-yl)-5-(phenylmethyl)-1,2,3,3a,3b,4,5a,6,7,8,9,9b,10,11-tetradecahydrocyclopenta[i]phenanthridine
Wiley ID 61478